// Set OVERLAPPING to 1 in order to fill in the edges of the box, with // c endcaps and b overlapping a. With the proper choice of parameters, // (setting rim slds to sld, core sld to solvent, rim thickness to thickness // and subtracting 2*thickness from length, this should match the hollow // rectangular prism.) Set it to 0 for the documented behaviour. #define OVERLAPPING 0 static double form_volume(double length_a, double length_b, double length_c, double thick_rim_a, double thick_rim_b, double thick_rim_c) { return #if OVERLAPPING // Hollow rectangular prism only includes the volume of the shell // so uncomment the next line when comparing. Solid rectangular // prism, or parallelepiped want filled cores, so comment when // comparing. //-length_a * length_b * length_c + (length_a + 2.0*thick_rim_a) * (length_b + 2.0*thick_rim_b) * (length_c + 2.0*thick_rim_c); #else length_a * length_b * length_c + 2.0 * thick_rim_a * length_b * length_c + 2.0 * length_a * thick_rim_b * length_c + 2.0 * length_a * length_b * thick_rim_c; #endif } static double Iq(double q, double core_sld, double arim_sld, double brim_sld, double crim_sld, double solvent_sld, double length_a, double length_b, double length_c, double thick_rim_a, double thick_rim_b, double thick_rim_c) { // Code converted from functions CSPPKernel and CSParallelepiped in libCylinder.c // Did not understand the code completely, it should be rechecked (Miguel Gonzalez) // Code is rewritten, the code is compliant with Diva Singh's thesis now (Dirk Honecker) // Code rewritten; cross checked against hollow rectangular prism and realspace (PAK) const double half_q = 0.5*q; const double tA = length_a + 2.0*thick_rim_a; const double tB = length_b + 2.0*thick_rim_b; const double tC = length_c + 2.0*thick_rim_c; // Scale factors const double dr0 = (core_sld-solvent_sld); const double drA = (arim_sld-solvent_sld); const double drB = (brim_sld-solvent_sld); const double drC = (crim_sld-solvent_sld); // outer integral (with gauss points), integration limits = 0, 1 double outer_sum = 0; //initialize integral for( int i=0; i